Chemical Properties of Benzamide, 2-chloro-n-cyanomethyl-4-nitro-n-phenyl- (CAS 22977-96-4)

Benzamide, 2-chloro-n-cyanomethyl-4-nitro-n-phenyl-

InChI
InChI=1S/C15H10ClN3O3/c16-14-10-12(19(21)22)6-7-13(14)15(20)18(9-8-17)11-4-2-1-3-5-11/h1-7,10H,9H2
InChI Key
GOAPRVVYNWEGBW-UHFFFAOYSA-N
Formula
C15H10ClN3O3
SMILES
N#CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
Molecular Weight1
315.71
CAS
22977-96-4
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Physical Properties

Property Value Unit Source
ω 0.8069 Relay (1.0) Calculated Property
ΔfG° 419.64 kJ/mol Joback Calculated Property
ΔfH°gas 123.46 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.59 kJ/mol Joback Calculated Property
ΔvapH° 114.25 kJ/mol Relay (1.0) Calculated Property
IE 9.14 eV Relay (1.0) Calculated Property
log10WS -5.29 Relay (1.0) Calculated Property
logPoct/wat 3.419 Crippen Calculated Property
McVol 217.280 ml/mol McGowan Calculated Property
Pc 2462.92 kPa Joback Calculated Property
Tboil 656.66 K Relay (1.0) Calculated Property
Tc 1018.87 K Relay (1.0) Calculated Property
Tfus 421.20 K Relay (1.0) Calculated Property
Vc 0.750 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [601.14; 640.83] J/mol×K [963.58; 1229.61] Show Hide
Cp,gas 601.14 J/mol×K 963.58 Joback Calculated Property
Cp,gas 609.52 J/mol×K 1007.92 Joback Calculated Property
Cp,gas 617.05 J/mol×K 1052.26 Joback Calculated Property
Cp,gas 623.83 J/mol×K 1096.60 Joback Calculated Property
Cp,gas 629.97 J/mol×K 1140.93 Joback Calculated Property
Cp,gas 635.60 J/mol×K 1185.27 Joback Calculated Property
Cp,gas 640.83 J/mol×K 1229.61 Joback Calculated Property

Similar Compounds

Benzamide, N-ethyl-N-(3-methylphenyl)-4-chloro-. 1-Naphthamide, N-ethyl-N-(3-methylphenyl)-. Galathan, 1,2,3,12,15,16-hexadehydro-9,10-[methylenebis(oxy)]-. Metergoline. Norhydrocodone. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. Benzamide, N-ethyl-N-(3-methylphenyl)-4-ethyl-. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. inosine-5'-monophosphate, TMS. Methyldihydromorphine. Benazepril Me. cyclomegistine. Hydrocodone. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Hydromorphone.

Find more compounds similar to Benzamide, 2-chloro-n-cyanomethyl-4-nitro-n-phenyl-.

Sources

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